N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide

C19H31N5O3 — CID 97315817

IUPACN-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)o1
InChIInChI=1S/C19H31N5O3/c1-14-4-5-17(27-14)18(25)21-15-6-8-24(9-7-15)19(26)20-12-16-13-22(2)10-11-23(16)3/h4-5,15-16H,6-13H2,1-3H3,(H,20,26)(H,21,25)/t16-/m0/s1
InChIKeyRIFSRUOLSXVIRF-INIZCTEOSA-N
MW377.49 g/mol
LogP0.74
Rot. Bonds4

About N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide

N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide (PubChem CID 97315817) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
PubChem CID97315817
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)o1
InChIInChI=1S/C19H31N5O3/c1-14-4-5-17(27-14)18(25)21-15-6-8-24(9-7-15)19(26)20-12-16-13-22(2)10-11-23(16)3/h4-5,15-16H,6-13H2,1-3H3,(H,20,26)(H,21,25)/t16-/m0/s1
InChIKeyRIFSRUOLSXVIRF-INIZCTEOSA-N
XLogP0.74
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
CID 75464077
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49411897
5-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447477
2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 91837266
ethyl 4-[[N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111830686
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358828
N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447098
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-ethylfuran-2-carboxamide
CID 46408699

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide (CID 97315817) is N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide is Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)o1.
What is the InChIKey of N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide?
The InChIKey is RIFSRUOLSXVIRF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-14-4-5-17(27-14)18(25)21-15-6-8-24(9-7-15)19(26)20-12-16-13-22(2)10-11-23(16)3/h4-5,15-16H,6-13H2,1-3H3,(H,20,26)(H,21,25)/t16-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide?
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 97315817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).