(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide

C20H31N3O — CID 90012477

IUPAC(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CCC(c2ccc(NC(=O)[C@H]3CCNC3)cc2)CC1
InChIInChI=1S/C20H31N3O/c1-20(2,3)23-12-9-16(10-13-23)15-4-6-18(7-5-15)22-19(24)17-8-11-21-14-17/h4-7,16-17,21H,8-14H2,1-3H3,(H,22,24)/t17-/m0/s1
InChIKeyHUNGPRCVRUHVOZ-KRWDZBQOSA-N
MW329.49 g/mol
LogP3.21
Rot. Bonds3

About (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide

(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 90012477) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID90012477
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CCC(c2ccc(NC(=O)[C@H]3CCNC3)cc2)CC1
InChIInChI=1S/C20H31N3O/c1-20(2,3)23-12-9-16(10-13-23)15-4-6-18(7-5-15)22-19(24)17-8-11-21-14-17/h4-7,16-17,21H,8-14H2,1-3H3,(H,22,24)/t17-/m0/s1
InChIKeyHUNGPRCVRUHVOZ-KRWDZBQOSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 166276779
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide
CID 173252213
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
benzyl 3-[[4-(1-tert-butylpiperidin-4-yl)phenyl]carbamoyl]azetidine-1-carboxylate
CID 90012300
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide
CID 167988844
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 18783777
N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 119752791

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide (CID 90012477) is (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide is CC(C)(C)N1CCC(c2ccc(NC(=O)[C@H]3CCNC3)cc2)CC1.
What is the InChIKey of (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HUNGPRCVRUHVOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O/c1-20(2,3)23-12-9-16(10-13-23)15-4-6-18(7-5-15)22-19(24)17-8-11-21-14-17/h4-7,16-17,21H,8-14H2,1-3H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide?
(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 90012477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).