[4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone

C19H27N5O2 — CID 30936778

IUPAC[4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(n3cc([C@H](C)O)nn3)CC2)cc1
InChIInChI=1S/C19H27N5O2/c1-3-10-20-16-6-4-15(5-7-16)19(26)23-11-8-17(9-12-23)24-13-18(14(2)25)21-22-24/h4-7,13-14,17,20,25H,3,8-12H2,1-2H3/t14-/m0/s1
InChIKeyAAYKJSNAWIYTSK-AWEZNQCLSA-N
MW357.46 g/mol
LogP2.63
Rot. Bonds6

About [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone

[4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone (PubChem CID 30936778) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone
PubChem CID30936778
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(n3cc([C@H](C)O)nn3)CC2)cc1
InChIInChI=1S/C19H27N5O2/c1-3-10-20-16-6-4-15(5-7-16)19(26)23-11-8-17(9-12-23)24-13-18(14(2)25)21-22-24/h4-7,13-14,17,20,25H,3,8-12H2,1-2H3/t14-/m0/s1
InChIKeyAAYKJSNAWIYTSK-AWEZNQCLSA-N
XLogP2.63
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 30936775
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540449
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 63605486
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698
1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone
CID 45180211
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
N-[4-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124892607

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone?
The IUPAC name of [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone (CID 30936778) is [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone.
What is the SMILES notation for [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone?
The canonical SMILES for [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone is CCCNc1ccc(C(=O)N2CCC(n3cc([C@H](C)O)nn3)CC2)cc1.
What is the InChIKey of [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone?
The InChIKey is AAYKJSNAWIYTSK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-10-20-16-6-4-15(5-7-16)19(26)23-11-8-17(9-12-23)24-13-18(14(2)25)21-22-24/h4-7,13-14,17,20,25H,3,8-12H2,1-2H3/t14-/m0/s1.
What are the key properties of [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone?
[4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone has a molecular weight of 357.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone is sourced from PubChem (CID 30936778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).