(3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide

C19H27FN4O2 — CID 170731630

IUPAC(3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCc1ccc(CNC(=O)N2CCC[C@@H](N(C(N)=O)C3CC3)C2)c(F)c1
InChIInChI=1S/C19H27FN4O2/c1-2-13-5-6-14(17(20)10-13)11-22-19(26)23-9-3-4-16(12-23)24(18(21)25)15-7-8-15/h5-6,10,15-16H,2-4,7-9,11-12H2,1H3,(H2,21,25)(H,22,26)/t16-/m1/s1
InChIKeyLTSVEDUYXAVPOA-MRXNPFEDSA-N
MW362.45 g/mol
LogP2.61
Rot. Bonds5

About (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide

(3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 170731630) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID170731630
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name(3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCc1ccc(CNC(=O)N2CCC[C@@H](N(C(N)=O)C3CC3)C2)c(F)c1
InChIInChI=1S/C19H27FN4O2/c1-2-13-5-6-14(17(20)10-13)11-22-19(26)23-9-3-4-16(12-23)24(18(21)25)15-7-8-15/h5-6,10,15-16H,2-4,7-9,11-12H2,1H3,(H2,21,25)(H,22,26)/t16-/m1/s1
InChIKeyLTSVEDUYXAVPOA-MRXNPFEDSA-N
XLogP2.61
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(4-bromo-2-fluorophenyl)methyl]-3-[carbamoyl(cyclopropyl)amino]piperidine-1-carboxamide
CID 170731589
(3R)-3-[(4-chloro-5-ethyl-2-fluorophenyl)methylcarbamoyl-cyclopropylamino]-N-methoxypiperidine-1-carboxamide
CID 165119771
(3R)-3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 165120152
(3S,5R)-3-cyano-5-[cyclopropyl-[(4-ethyl-2-fluorophenyl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide
CID 171091907
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79158420
3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide
CID 176708330
3-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-[(3R)-1-(3-hydroxypropanoyl)piperidin-3-yl]urea
CID 165119648
3-[(4-chloro-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 165119686
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
3-[(4-chloro-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-N-cyclopropylpiperidine-1-carboxamide
CID 177106134
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide (CID 170731630) is (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide is CCc1ccc(CNC(=O)N2CCC[C@@H](N(C(N)=O)C3CC3)C2)c(F)c1.
What is the InChIKey of (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is LTSVEDUYXAVPOA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-2-13-5-6-14(17(20)10-13)11-22-19(26)23-9-3-4-16(12-23)24(18(21)25)15-7-8-15/h5-6,10,15-16H,2-4,7-9,11-12H2,1H3,(H2,21,25)(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide?
(3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 170731630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).