(3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide

C20H35N6O4+ — CID 9423891

IUPAC(3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1
InChIInChI=1S/C20H34N6O4/c1-13(2)23-20(30)25-10-11-26(19(29)14-5-8-21-9-6-14)16(12-25)18(28)24-15-4-3-7-22-17(15)27/h13-16,21H,3-12H2,1-2H3,(H,22,27)(H,23,30)(H,24,28)/p+1/t15-,16+/m0/s1
InChIKeyLIUMKMGZSXVCHK-JKSUJKDBSA-O
MW423.54 g/mol
LogP-2.01
Rot. Bonds4

About (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide

(3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide (PubChem CID 9423891) has the molecular formula C20H35N6O4+ and a molecular weight of 423.54 g/mol. Its IUPAC name is (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
PubChem CID9423891
Molecular FormulaC20H35N6O4+
Molecular Weight423.54 g/mol
Exact Mass423.27
IUPAC Name(3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1
InChIInChI=1S/C20H34N6O4/c1-13(2)23-20(30)25-10-11-26(19(29)14-5-8-21-9-6-14)16(12-25)18(28)24-15-4-3-7-22-17(15)27/h13-16,21H,3-12H2,1-2H3,(H,22,27)(H,23,30)(H,24,28)/p+1/t15-,16+/m0/s1
InChIKeyLIUMKMGZSXVCHK-JKSUJKDBSA-O
XLogP-2.01
TPSA127.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-cyclohexyl-4-piperidin-1-ylpiperidine-1,4-dicarboxamide
CID 3242636
4-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 53506473
3-N,3-N-diethyl-1-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-1,3-dicarboxamide
CID 172438756
(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 7156157
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
3,3-diamino-2-(5-fluoro-1-pentyl-1,3-diazinan-2-yl)-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]propanamide
CID 155150889
(7S,9aR)-N-cyclohexyl-7-isobutyl-8-methyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56854247
(7S,9aR)-N-cyclohexyl-7-[(1S)-1-methylpropyl]-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56856640
(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7164966
N-isopropyl-1'-[(1-methyl-2-piperidinyl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 45235957
N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide
CID 46032280
4-{[(3-{[1,4'-Bipiperidin]-1'-YL}propyl)carbamoyl]methyl}-N-cyclohexylpiperidine-1-carboxamide
CID 53005033

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide (CID 9423891) is (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide is CC(C)NC(=O)N1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1.
What is the InChIKey of (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
The InChIKey is LIUMKMGZSXVCHK-JKSUJKDBSA-O. The full InChI is InChI=1S/C20H34N6O4/c1-13(2)23-20(30)25-10-11-26(19(29)14-5-8-21-9-6-14)16(12-25)18(28)24-15-4-3-7-22-17(15)27/h13-16,21H,3-12H2,1-2H3,(H,22,27)(H,23,30)(H,24,28)/p+1/t15-,16+/m0/s1.
What are the key properties of (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
(3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide has a molecular weight of 423.54 g/mol, XLogP of -2.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide is sourced from PubChem (CID 9423891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).