N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride

C16H28ClN3O2 — CID 119289763

IUPACN-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CC1)C1CCCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C16H27N3O2.ClH/c20-15(18-10-12-6-7-12)13-4-3-9-19(11-13)16(21)14-5-1-2-8-17-14;/h12-14,17H,1-11H2,(H,18,20);1H
InChIKeyLDPRGNBULYVDTE-UHFFFAOYSA-N
MW329.87 g/mol
LogP1.32
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride

N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119289763) has the molecular formula C16H28ClN3O2 and a molecular weight of 329.87 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119289763
Molecular FormulaC16H28ClN3O2
Molecular Weight329.87 g/mol
Exact Mass329.19
IUPAC NameN-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CC1)C1CCCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C16H27N3O2.ClH/c20-15(18-10-12-6-7-12)13-4-3-9-19(11-13)16(21)14-5-1-2-8-17-14;/h12-14,17H,1-11H2,(H,18,20);1H
InChIKeyLDPRGNBULYVDTE-UHFFFAOYSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
N-methyl-1-[(2S)-piperidine-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119783429
N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide
CID 119311468
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 53015059
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride (CID 119289763) is N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCC1CC1)C1CCCN(C(=O)C2CCCCN2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is LDPRGNBULYVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.ClH/c20-15(18-10-12-6-7-12)13-4-3-9-19(11-13)16(21)14-5-1-2-8-17-14;/h12-14,17H,1-11H2,(H,18,20);1H.
What are the key properties of N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride?
N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119289763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).