N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide

C24H32N4O — CID 42095769

IUPACN-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(Cc3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C24H32N4O/c29-24(26-20-7-8-20)19-9-15-28(16-10-19)22-11-13-27(14-12-22)17-21-6-5-18-3-1-2-4-23(18)25-21/h1-6,19-20,22H,7-17H2,(H,26,29)
InChIKeyPSDBJMCESLTLDL-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.19
Rot. Bonds5

About N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42095769) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42095769
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(Cc3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C24H32N4O/c29-24(26-20-7-8-20)19-9-15-28(16-10-19)22-11-13-27(14-12-22)17-21-6-5-18-3-1-2-4-23(18)25-21/h1-6,19-20,22H,7-17H2,(H,26,29)
InChIKeyPSDBJMCESLTLDL-UHFFFAOYSA-N
XLogP3.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 154457782
N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 28634745
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 23289915
N-cyclopropyl-1-(1,3-oxazol-4-ylmethyl)piperidine-4-carboxamide
CID 172890946
2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline
CID 66201727
N-cyclopropyl-2-(quinolin-2-ylmethylamino)acetamide
CID 43401916
(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 164698384
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95532217
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42095769) is N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C2CCN(Cc3ccc4ccccc4n3)CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is PSDBJMCESLTLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c29-24(26-20-7-8-20)19-9-15-28(16-10-19)22-11-13-27(14-12-22)17-21-6-5-18-3-1-2-4-23(18)25-21/h1-6,19-20,22H,7-17H2,(H,26,29).
What are the key properties of N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42095769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).