trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

C19H27N3O2 — CID 97023008

IUPACtrans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-13-12-17(13)18(23)20-15-6-4-14(5-7-15)19(24)22-10-8-16(9-11-22)21(2)3/h4-7,13,16-17H,8-12H2,1-3H3,(H,20,23)/t13-,17-/m0/s1
InChIKeySJNMWNZHODZBLA-GUYCJALGSA-N
MW329.44 g/mol
LogP2.45
Rot. Bonds4

About trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 97023008) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID97023008
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Nametrans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-13-12-17(13)18(23)20-15-6-4-14(5-7-15)19(24)22-10-8-16(9-11-22)21(2)3/h4-7,13,16-17H,8-12H2,1-3H3,(H,20,23)/t13-,17-/m0/s1
InChIKeySJNMWNZHODZBLA-GUYCJALGSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023007
2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 46429453
N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
CID 136536271
N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 119624288
N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
CID 55651049
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 58866547
2-methyl-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119579414
6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136534
N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450621
cis-(1S,2R)-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38765611
N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 112836565
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (CID 97023008) is trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1.
What is the InChIKey of trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is SJNMWNZHODZBLA-GUYCJALGSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-12-17(13)18(23)20-15-6-4-14(5-7-15)19(24)22-10-8-16(9-11-22)21(2)3/h4-7,13,16-17H,8-12H2,1-3H3,(H,20,23)/t13-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 97023008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).