N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride

C20H37ClN4O2 — CID 119620505

IUPACN-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H36N4O2.ClH/c25-19(22-12-11-21-18-7-3-1-2-4-8-18)17-9-15-24(16-10-17)20(26)23-13-5-6-14-23;/h17-18,21H,1-16H2,(H,22,25);1H
InChIKeyKBFKITYKSXPVBK-UHFFFAOYSA-N
MW401.00 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119620505) has the molecular formula C20H37ClN4O2 and a molecular weight of 401.00 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119620505
Molecular FormulaC20H37ClN4O2
Molecular Weight401.00 g/mol
Exact Mass400.26
IUPAC NameN-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H36N4O2.ClH/c25-19(22-12-11-21-18-7-3-1-2-4-8-18)17-9-15-24(16-10-17)20(26)23-13-5-6-14-23;/h17-18,21H,1-16H2,(H,22,25);1H
InChIKeyKBFKITYKSXPVBK-UHFFFAOYSA-N
XLogP2.76
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.00
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide
CID 115306511
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
CID 115676200
N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
CID 71940931
N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
CID 113223981
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide
CID 122080782
N-(2-cyclohexyl-2-hydroxypropyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119048232
N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 124727432
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride (CID 119620505) is N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCCNC1CCCCCC1)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is KBFKITYKSXPVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2.ClH/c25-19(22-12-11-21-18-7-3-1-2-4-8-18)17-9-15-24(16-10-17)20(26)23-13-5-6-14-23;/h17-18,21H,1-16H2,(H,22,25);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 401.00 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119620505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).