N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide

C27H35N5O — CID 42441139

IUPACN-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide
SMILESCCn1cc(CNC2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)cn1
InChIInChI=1S/C27H35N5O/c1-2-32-21-23(20-29-32)19-28-24-14-16-31(17-15-24)26-12-7-11-25(18-26)30-27(33)13-6-10-22-8-4-3-5-9-22/h3-5,7-9,11-12,18,20-21,24,28H,2,6,10,13-17,19H2,1H3,(H,30,33)
InChIKeyDVIRGBGGICPHPK-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.62
Rot. Bonds10

About N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide

N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide (PubChem CID 42441139) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide
PubChem CID42441139
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC NameN-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide
SMILESCCn1cc(CNC2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)cn1
InChIInChI=1S/C27H35N5O/c1-2-32-21-23(20-29-32)19-28-24-14-16-31(17-15-24)26-12-7-11-25(18-26)30-27(33)13-6-10-22-8-4-3-5-9-22/h3-5,7-9,11-12,18,20-21,24,28H,2,6,10,13-17,19H2,1H3,(H,30,33)
InChIKeyDVIRGBGGICPHPK-UHFFFAOYSA-N
XLogP4.62
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide
CID 42485486
(3S)-1-(2,6-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97055718
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
N-[3-[4-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]ethanesulfonamide
CID 42165458
N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide
CID 42468339
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42165920
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid
CID 68865260
N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
CID 71980330

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide?
The IUPAC name of N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide (CID 42441139) is N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide is CCn1cc(CNC2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)cn1.
What is the InChIKey of N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide?
The InChIKey is DVIRGBGGICPHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c1-2-32-21-23(20-29-32)19-28-24-14-16-31(17-15-24)26-12-7-11-25(18-26)30-27(33)13-6-10-22-8-4-3-5-9-22/h3-5,7-9,11-12,18,20-21,24,28H,2,6,10,13-17,19H2,1H3,(H,30,33).
What are the key properties of N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide?
N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide has a molecular weight of 445.61 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide is sourced from PubChem (CID 42441139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).