[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C20H24ClN5O — CID 131897535

IUPAC[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(N2CCN(c3ncccc3Cl)CC2)CC1
InChIInChI=1S/C20H24ClN5O/c21-17-4-3-9-23-19(17)25-14-12-24(13-15-25)16-6-10-26(11-7-16)20(27)18-5-1-2-8-22-18/h1-5,8-9,16H,6-7,10-15H2
InChIKeyUZDBKFHDWRHTSA-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.56
Rot. Bonds3

About [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 131897535) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID131897535
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(N2CCN(c3ncccc3Cl)CC2)CC1
InChIInChI=1S/C20H24ClN5O/c21-17-4-3-9-23-19(17)25-14-12-24(13-15-25)16-6-10-26(11-7-16)20(27)18-5-1-2-8-22-18/h1-5,8-9,16H,6-7,10-15H2
InChIKeyUZDBKFHDWRHTSA-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131908612
[4-(1-phenylpyrrolidin-3-yl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 138382454
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 142654869
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976
pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151128
[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-pyridin-2-ylmethanone
CID 59670038
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476
[4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97154394

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 131897535) is [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(N2CCN(c3ncccc3Cl)CC2)CC1.
What is the InChIKey of [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is UZDBKFHDWRHTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-17-4-3-9-23-19(17)25-14-12-24(13-15-25)16-6-10-26(11-7-16)20(27)18-5-1-2-8-22-18/h1-5,8-9,16H,6-7,10-15H2.
What are the key properties of [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 385.90 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 131897535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).