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

C22H35N3O2 — CID 42210941

IUPACN-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(N2CCC(C(=O)NC[C@H](C)O)CC2)CC1
InChIInChI=1S/C22H35N3O2/c1-17-5-3-4-6-20(17)16-24-11-9-21(10-12-24)25-13-7-19(8-14-25)22(27)23-15-18(2)26/h3-6,18-19,21,26H,7-16H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyDOQCYPOUYZKWSN-SFHVURJKSA-N
MW373.54 g/mol
LogP2.17
Rot. Bonds6

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

N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42210941) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42210941
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(N2CCC(C(=O)NC[C@H](C)O)CC2)CC1
InChIInChI=1S/C22H35N3O2/c1-17-5-3-4-6-20(17)16-24-11-9-21(10-12-24)25-13-7-19(8-14-25)22(27)23-15-18(2)26/h3-6,18-19,21,26H,7-16H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyDOQCYPOUYZKWSN-SFHVURJKSA-N
XLogP2.17
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 56874677
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 171676223
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42693604
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013959
4-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25294488
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
1-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]-1,4-diazepan-5-one
CID 42376674
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 42210941) is N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is Cc1ccccc1CN1CCC(N2CCC(C(=O)NC[C@H](C)O)CC2)CC1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is DOQCYPOUYZKWSN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-17-5-3-4-6-20(17)16-24-11-9-21(10-12-24)25-13-7-19(8-14-25)22(27)23-15-18(2)26/h3-6,18-19,21,26H,7-16H2,1-2H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42210941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).