N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

C23H35N3O — CID 56874677

IUPACN-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(N2CCC(C(=O)NCC3CC3)CC2)CC1
InChIInChI=1S/C23H35N3O/c1-18-4-2-3-5-21(18)17-25-12-10-22(11-13-25)26-14-8-20(9-15-26)23(27)24-16-19-6-7-19/h2-5,19-20,22H,6-17H2,1H3,(H,24,27)
InChIKeyRBMQSSNVKFWFOO-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.20
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 56874677) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID56874677
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC NameN-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(N2CCC(C(=O)NCC3CC3)CC2)CC1
InChIInChI=1S/C23H35N3O/c1-18-4-2-3-5-21(18)17-25-12-10-22(11-13-25)26-14-8-20(9-15-26)23(27)24-16-19-6-7-19/h2-5,19-20,22H,6-17H2,1H3,(H,24,27)
InChIKeyRBMQSSNVKFWFOO-UHFFFAOYSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42210941
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 134801733
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
4-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25294488
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
1-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]-1,4-diazepan-5-one
CID 42376674
N-[(3-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775678
1-[(4-methylphenyl)methyl]-3-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609242
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45020578
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 29028022

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 56874677) is N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is Cc1ccccc1CN1CCC(N2CCC(C(=O)NCC3CC3)CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is RBMQSSNVKFWFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-18-4-2-3-5-21(18)17-25-12-10-22(11-13-25)26-14-8-20(9-15-26)23(27)24-16-19-6-7-19/h2-5,19-20,22H,6-17H2,1H3,(H,24,27).
What are the key properties of N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 369.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 56874677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).