N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide

C16H23N3O — CID 71111619

IUPACN-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide
SMILESCC(=O)NC1(c2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C16H23N3O/c1-13(20)18-16(6-7-16)15-4-2-14(3-5-15)12-19-10-8-17-9-11-19/h2-5,17H,6-12H2,1H3,(H,18,20)
InChIKeyNLJZFMBIKUCJGP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.22
Rot. Bonds4

About N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide

N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide (PubChem CID 71111619) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide
PubChem CID71111619
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide
SMILESCC(=O)NC1(c2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C16H23N3O/c1-13(20)18-16(6-7-16)15-4-2-14(3-5-15)12-19-10-8-17-9-11-19/h2-5,17H,6-12H2,1H3,(H,18,20)
InChIKeyNLJZFMBIKUCJGP-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid
CID 117379200
2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
CID 117438634
4-[4-(piperazin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octane
CID 117459996
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
1-[[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]methyl]piperazine
CID 117111656
N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 92584365
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide
CID 69106865
acetic acid;2-[4-(1,4-diazepan-1-ylmethyl)phenyl]acetic acid
CID 154911280
3-amino-2-[4-(piperazin-1-ylmethyl)phenyl]propanoic acid
CID 117413227
N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide
CID 16673781
N-[2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]ethyl]acetamide
CID 70834106

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide?
The IUPAC name of N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide (CID 71111619) is N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide.
What is the SMILES notation for N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide?
The canonical SMILES for N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide is CC(=O)NC1(c2ccc(CN3CCNCC3)cc2)CC1.
What is the InChIKey of N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide?
The InChIKey is NLJZFMBIKUCJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(20)18-16(6-7-16)15-4-2-14(3-5-15)12-19-10-8-17-9-11-19/h2-5,17H,6-12H2,1H3,(H,18,20).
What are the key properties of N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide?
N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide is sourced from PubChem (CID 71111619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).