(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide

C19H29N3O — CID 100647209

IUPAC(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CCN(Cc2cccc(CNC(=O)[C@@H]3CCCN3)c2)CC1
InChIInChI=1S/C19H29N3O/c1-15-7-10-22(11-8-15)14-17-5-2-4-16(12-17)13-21-19(23)18-6-3-9-20-18/h2,4-5,12,15,18,20H,3,6-11,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyWMTFKEYOBJMWOA-SFHVURJKSA-N
MW315.46 g/mol
LogP2.29
Rot. Bonds5

About (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 100647209) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID100647209
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CCN(Cc2cccc(CNC(=O)[C@@H]3CCCN3)c2)CC1
InChIInChI=1S/C19H29N3O/c1-15-7-10-22(11-8-15)14-17-5-2-4-16(12-17)13-21-19(23)18-6-3-9-20-18/h2,4-5,12,15,18,20H,3,6-11,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyWMTFKEYOBJMWOA-SFHVURJKSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119867361
(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081400
4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119867415
(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
CID 119864239
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100650872
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 100647209) is (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide is CC1CCN(Cc2cccc(CNC(=O)[C@@H]3CCCN3)c2)CC1.
What is the InChIKey of (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WMTFKEYOBJMWOA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15-7-10-22(11-8-15)14-17-5-2-4-16(12-17)13-21-19(23)18-6-3-9-20-18/h2,4-5,12,15,18,20H,3,6-11,13-14H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 100647209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).