1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide

C19H29N3O — CID 95327258

IUPAC1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC[C@H](C)N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C19H29N3O/c1-15-5-4-6-17(13-15)19(7-8-19)18(23)20-14-16(2)22-11-9-21(3)10-12-22/h4-6,13,16H,7-12,14H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyZRFAMXPJKOUNJS-INIZCTEOSA-N
MW315.46 g/mol
LogP1.78
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide

1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 95327258) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID95327258
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC[C@H](C)N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C19H29N3O/c1-15-5-4-6-17(13-15)19(7-8-19)18(23)20-14-16(2)22-11-9-21(3)10-12-22/h4-6,13,16H,7-12,14H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyZRFAMXPJKOUNJS-INIZCTEOSA-N
XLogP1.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 120670632
1-(3-methylphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]cyclopropane-1-carboxamide
CID 56818462
6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
CID 56823834
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 78855924
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide
CID 94823320
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604391
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 56684429

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide (CID 95327258) is 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide is Cc1cccc(C2(C(=O)NC[C@H](C)N3CCN(C)CC3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is ZRFAMXPJKOUNJS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15-5-4-6-17(13-15)19(7-8-19)18(23)20-14-16(2)22-11-9-21(3)10-12-22/h4-6,13,16H,7-12,14H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95327258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).