N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide

C27H33N5O — CID 42485205

IUPACN-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCC(NCc3ccc(-n4cccn4)cc3)CC2)cc1
InChIInChI=1S/C27H33N5O/c33-27(30-24-4-1-2-5-24)22-8-12-25(13-9-22)31-18-14-23(15-19-31)28-20-21-6-10-26(11-7-21)32-17-3-16-29-32/h3,6-13,16-17,23-24,28H,1-2,4-5,14-15,18-20H2,(H,30,33)
InChIKeyIRLRZFDMAJMGDJ-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.30
Rot. Bonds7

About N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide

N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide (PubChem CID 42485205) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
PubChem CID42485205
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC NameN-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCC(NCc3ccc(-n4cccn4)cc3)CC2)cc1
InChIInChI=1S/C27H33N5O/c33-27(30-24-4-1-2-5-24)22-8-12-25(13-9-22)31-18-14-23(15-19-31)28-20-21-6-10-26(11-7-21)32-17-3-16-29-32/h3,6-13,16-17,23-24,28H,1-2,4-5,14-15,18-20H2,(H,30,33)
InChIKeyIRLRZFDMAJMGDJ-UHFFFAOYSA-N
XLogP4.30
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide
CID 26360963
N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46485261
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine
CID 43778672
N-cyclopentyl-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847333
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
4-[[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 122030606
N-cyclopentyl-4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]benzamide
CID 42434130
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-3-amine
CID 63923324

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide (CID 42485205) is N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide is O=C(NC1CCCC1)c1ccc(N2CCC(NCc3ccc(-n4cccn4)cc3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide?
The InChIKey is IRLRZFDMAJMGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c33-27(30-24-4-1-2-5-24)22-8-12-25(13-9-22)31-18-14-23(15-19-31)28-20-21-6-10-26(11-7-21)32-17-3-16-29-32/h3,6-13,16-17,23-24,28H,1-2,4-5,14-15,18-20H2,(H,30,33).
What are the key properties of N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide?
N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide has a molecular weight of 443.60 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide is sourced from PubChem (CID 42485205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).