N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide

C26H36N6O — CID 42278079

IUPACN-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCC(N3CCCN(c4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C26H36N6O/c33-25(29-22-5-1-2-6-22)21-7-9-23(10-8-21)31-17-11-24(12-18-31)30-15-4-16-32(20-19-30)26-27-13-3-14-28-26/h3,7-10,13-14,22,24H,1-2,4-6,11-12,15-20H2,(H,29,33)
InChIKeyJXHNIZAHQYGENJ-UHFFFAOYSA-N
MW448.62 g/mol
LogP3.33
Rot. Bonds5

About N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide

N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide (PubChem CID 42278079) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide
PubChem CID42278079
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC NameN-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCC(N3CCCN(c4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C26H36N6O/c33-25(29-22-5-1-2-6-22)21-7-9-23(10-8-21)31-17-11-24(12-18-31)30-15-4-16-32(20-19-30)26-27-13-3-14-28-26/h3,7-10,13-14,22,24H,1-2,4-6,11-12,15-20H2,(H,29,33)
InChIKeyJXHNIZAHQYGENJ-UHFFFAOYSA-N
XLogP3.33
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109182962
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
N-cyclopentyl-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847333
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
CID 20655195
N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-morpholin-4-ylbenzamide
CID 42098695
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705458
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide (CID 42278079) is N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide is O=C(NC1CCCC1)c1ccc(N2CCC(N3CCCN(c4ncccn4)CC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide?
The InChIKey is JXHNIZAHQYGENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O/c33-25(29-22-5-1-2-6-22)21-7-9-23(10-8-21)31-17-11-24(12-18-31)30-15-4-16-32(20-19-30)26-27-13-3-14-28-26/h3,7-10,13-14,22,24H,1-2,4-6,11-12,15-20H2,(H,29,33).
What are the key properties of N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide?
N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide has a molecular weight of 448.62 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide is sourced from PubChem (CID 42278079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).