N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide

C28H31N3O — CID 71260436

IUPACN-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2CC2NC2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C28H31N3O/c32-28(23-9-5-2-6-10-23)30-24-13-11-22(12-14-24)26-19-27(26)29-25-15-17-31(18-16-25)20-21-7-3-1-4-8-21/h1-14,25-27,29H,15-20H2,(H,30,32)
InChIKeyPMBPLCHQCMZIPU-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.05
Rot. Bonds7

About N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide

N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide (PubChem CID 71260436) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide
PubChem CID71260436
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC NameN-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2CC2NC2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C28H31N3O/c32-28(23-9-5-2-6-10-23)30-24-13-11-22(12-14-24)26-19-27(26)29-25-15-17-31(18-16-25)20-21-7-3-1-4-8-21/h1-14,25-27,29H,15-20H2,(H,30,32)
InChIKeyPMBPLCHQCMZIPU-UHFFFAOYSA-N
XLogP5.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129098117
N-(1-oxo-3-phenylpropan-2-yl)-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129121740
N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide
CID 129098249
N-(1,2-dioxohexan-3-yl)-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129121769
N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 129098167
N-[4-[2-[(1-phenylpiperidin-4-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide;dihydrochloride
CID 90214387
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide
CID 91278506

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide (CID 71260436) is N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide is O=C(Nc1ccc(C2CC2NC2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide?
The InChIKey is PMBPLCHQCMZIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c32-28(23-9-5-2-6-10-23)30-24-13-11-22(12-14-24)26-19-27(26)29-25-15-17-31(18-16-25)20-21-7-3-1-4-8-21/h1-14,25-27,29H,15-20H2,(H,30,32).
What are the key properties of N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide?
N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide has a molecular weight of 425.58 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 71260436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).