[4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone

C21H26N4O — CID 155878699

IUPAC[4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone
SMILESO=C(N1CCC1)C1(Nc2ccccc2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C21H26N4O/c26-20(25-13-4-14-25)21(23-19-5-2-1-3-6-19)9-15-24(16-10-21)17-18-7-11-22-12-8-18/h1-3,5-8,11-12,23H,4,9-10,13-17H2
InChIKeyKLFQAKJZGDQTNI-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.76
Rot. Bonds5

About [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone

[4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone (PubChem CID 155878699) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone
PubChem CID155878699
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone
SMILESO=C(N1CCC1)C1(Nc2ccccc2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C21H26N4O/c26-20(25-13-4-14-25)21(23-19-5-2-1-3-6-19)9-15-24(16-10-21)17-18-7-11-22-12-8-18/h1-3,5-8,11-12,23H,4,9-10,13-17H2
InChIKeyKLFQAKJZGDQTNI-UHFFFAOYSA-N
XLogP2.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155873458
[4-anilino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155873936
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155874133
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888
1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid
CID 71564992
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823811

Frequently Asked Questions

What is the IUPAC name of [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone?
The IUPAC name of [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone (CID 155878699) is [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone.
What is the SMILES notation for [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone?
The canonical SMILES for [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone is O=C(N1CCC1)C1(Nc2ccccc2)CCN(Cc2ccncc2)CC1.
What is the InChIKey of [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone?
The InChIKey is KLFQAKJZGDQTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20(25-13-4-14-25)21(23-19-5-2-1-3-6-19)9-15-24(16-10-21)17-18-7-11-22-12-8-18/h1-3,5-8,11-12,23H,4,9-10,13-17H2.
What are the key properties of [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone?
[4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone is sourced from PubChem (CID 155878699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).