(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide

C18H26N4O3 — CID 34591979

IUPAC(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)[C@H]2CCCN(C(N)=O)C2)c1
InChIInChI=1S/C18H26N4O3/c1-12(2)16(23)21-15-7-3-5-13(9-15)10-20-17(24)14-6-4-8-22(11-14)18(19)25/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3,(H2,19,25)(H,20,24)(H,21,23)/t14-/m0/s1
InChIKeyCPSDJHLYBFTZPM-AWEZNQCLSA-N
MW346.43 g/mol
LogP1.69
Rot. Bonds5

About (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 34591979) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
PubChem CID34591979
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)[C@H]2CCCN(C(N)=O)C2)c1
InChIInChI=1S/C18H26N4O3/c1-12(2)16(23)21-15-7-3-5-13(9-15)10-20-17(24)14-6-4-8-22(11-14)18(19)25/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3,(H2,19,25)(H,20,24)(H,21,23)/t14-/m0/s1
InChIKeyCPSDJHLYBFTZPM-AWEZNQCLSA-N
XLogP1.69
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide
CID 94810981
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 43041664
(3R)-3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 30307956
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 33021489
N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55782704
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829294
1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 55945797
(3R)-3-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 94028864

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide (CID 34591979) is (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide is CC(C)C(=O)Nc1cccc(CNC(=O)[C@H]2CCCN(C(N)=O)C2)c1.
What is the InChIKey of (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is CPSDJHLYBFTZPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(2)16(23)21-15-7-3-5-13(9-15)10-20-17(24)14-6-4-8-22(11-14)18(19)25/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3,(H2,19,25)(H,20,24)(H,21,23)/t14-/m0/s1.
What are the key properties of (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 34591979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).