(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide

C19H29N3O — CID 100707846

IUPAC(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESC[C@H](Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)C1CCC1
InChIInChI=1S/C19H29N3O/c1-14(15-7-4-8-15)21-18-10-3-2-6-16(18)12-22-11-5-9-17(13-22)19(20)23/h2-3,6,10,14-15,17,21H,4-5,7-9,11-13H2,1H3,(H2,20,23)/t14-,17-/m0/s1
InChIKeyNUXLAFCCZFRSDB-YOEHRIQHSA-N
MW315.46 g/mol
LogP2.98
Rot. Bonds6

About (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide

(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 100707846) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID100707846
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESC[C@H](Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)C1CCC1
InChIInChI=1S/C19H29N3O/c1-14(15-7-4-8-15)21-18-10-3-2-6-16(18)12-22-11-5-9-17(13-22)19(20)23/h2-3,6,10,14-15,17,21H,4-5,7-9,11-13H2,1H3,(H2,20,23)/t14-,17-/m0/s1
InChIKeyNUXLAFCCZFRSDB-YOEHRIQHSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 129434666
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
1-[[2-(but-2-ynoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 166403364
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 47090669
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 100707846) is (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide is C[C@H](Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)C1CCC1.
What is the InChIKey of (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is NUXLAFCCZFRSDB-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(15-7-4-8-15)21-18-10-3-2-6-16(18)12-22-11-5-9-17(13-22)19(20)23/h2-3,6,10,14-15,17,21H,4-5,7-9,11-13H2,1H3,(H2,20,23)/t14-,17-/m0/s1.
What are the key properties of (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide?
(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 100707846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).