1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

C19H29N5O2 — CID 87052169

IUPAC1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCCC2c2nncn2CC2CC2)CC1
InChIInChI=1S/C19H29N5O2/c1-14(25)22-10-7-16(8-11-22)19(26)24-9-3-2-4-17(24)18-21-20-13-23(18)12-15-5-6-15/h13,15-17H,2-12H2,1H3
InChIKeyXWQRHMZPPBVJKV-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.00
Rot. Bonds4

About 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 87052169) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID87052169
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCCC2c2nncn2CC2CC2)CC1
InChIInChI=1S/C19H29N5O2/c1-14(25)22-10-7-16(8-11-22)19(26)24-9-3-2-4-17(24)18-21-20-13-23(18)12-15-5-6-15/h13,15-17H,2-12H2,1H3
InChIKeyXWQRHMZPPBVJKV-UHFFFAOYSA-N
XLogP2.00
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 45224554
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N,1'-dimethyl-1,4'-bipiperidine-3-carboxamide
CID 56878147
N,1'-dimethyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56879690
2-ethyl-9-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70705092
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
2-ethyl-9-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70773141
1-(cyclopropylcarbonyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72839810
1-(cyclopropylcarbonyl)-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-4-piperidinecarboxamide
CID 72852342
N-[cyclopropyl(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72870669
1-cyclohexyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72888150
1-isopropyl-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72907236
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72927971

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 87052169) is 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCCCC2c2nncn2CC2CC2)CC1.
What is the InChIKey of 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is XWQRHMZPPBVJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14(25)22-10-7-16(8-11-22)19(26)24-9-3-2-4-17(24)18-21-20-13-23(18)12-15-5-6-15/h13,15-17H,2-12H2,1H3.
What are the key properties of 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 87052169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).