N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide

C19H34N4O3 — CID 119479921

IUPACN-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
SMILESCC(CC(=O)N1CCCC(C(=O)NCCN)C1)NC(=O)C1CCCCC1
InChIInChI=1S/C19H34N4O3/c1-14(22-19(26)15-6-3-2-4-7-15)12-17(24)23-11-5-8-16(13-23)18(25)21-10-9-20/h14-16H,2-13,20H2,1H3,(H,21,25)(H,22,26)
InChIKeyKRRQYRXZHOFSDC-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.77
Rot. Bonds7

About N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide (PubChem CID 119479921) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
PubChem CID119479921
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC NameN-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
SMILESCC(CC(=O)N1CCCC(C(=O)NCCN)C1)NC(=O)C1CCCCC1
InChIInChI=1S/C19H34N4O3/c1-14(22-19(26)15-6-3-2-4-7-15)12-17(24)23-11-5-8-16(13-23)18(25)21-10-9-20/h14-16H,2-13,20H2,1H3,(H,21,25)(H,22,26)
InChIKeyKRRQYRXZHOFSDC-UHFFFAOYSA-N
XLogP0.77
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxamide
CID 119480003
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119395625
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
N-[4-(4-aminopiperidin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119373643
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 119577168
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)sulfonylbutanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479934

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide (CID 119479921) is N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide is CC(CC(=O)N1CCCC(C(=O)NCCN)C1)NC(=O)C1CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide?
The InChIKey is KRRQYRXZHOFSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-14(22-19(26)15-6-3-2-4-7-15)12-17(24)23-11-5-8-16(13-23)18(25)21-10-9-20/h14-16H,2-13,20H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).