(3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide

C18H30N6O2 — CID 97112978

IUPAC(3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide
SMILESCCCCc1nc(C)cc(NCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C18H30N6O2/c1-3-4-7-15-22-13(2)11-16(23-15)20-8-9-21-17(25)14-6-5-10-24(12-14)18(19)26/h11,14H,3-10,12H2,1-2H3,(H2,19,26)(H,21,25)(H,20,22,23)/t14-/m1/s1
InChIKeyZMXPOYAPNSEKKR-CQSZACIVSA-N
MW362.48 g/mol
LogP1.45
Rot. Bonds8

About (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide

(3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide (PubChem CID 97112978) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide
PubChem CID97112978
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name(3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide
SMILESCCCCc1nc(C)cc(NCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C18H30N6O2/c1-3-4-7-15-22-13(2)11-16(23-15)20-8-9-21-17(25)14-6-5-10-24(12-14)18(19)26/h11,14H,3-10,12H2,1-2H3,(H2,19,26)(H,21,25)(H,20,22,23)/t14-/m1/s1
InChIKeyZMXPOYAPNSEKKR-CQSZACIVSA-N
XLogP1.45
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 97113726
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95160101
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine
CID 122572317
(3R)-3-N-[2-(2,3-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95156511
N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide
CID 119482159
N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide
CID 49407718
(3S)-3-[[(4-butylphenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
CID 8969879
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113481392

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide (CID 97112978) is (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide is CCCCc1nc(C)cc(NCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1.
What is the InChIKey of (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is ZMXPOYAPNSEKKR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-3-4-7-15-22-13(2)11-16(23-15)20-8-9-21-17(25)14-6-5-10-24(12-14)18(19)26/h11,14H,3-10,12H2,1-2H3,(H2,19,26)(H,21,25)(H,20,22,23)/t14-/m1/s1.
What are the key properties of (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 362.48 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97112978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).