(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C19H31N3O2S — CID 30783507

IUPAC(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)N(CCNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)C(C)C
InChIInChI=1S/C19H31N3O2S/c1-14(2)22(15(3)4)11-9-20-18(23)16-7-5-10-21(13-16)19(24)17-8-6-12-25-17/h6,8,12,14-16H,5,7,9-11,13H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyNSDPHBQKSRBNHH-INIZCTEOSA-N
MW365.54 g/mol
LogP2.84
Rot. Bonds7

About (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 30783507) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID30783507
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)N(CCNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)C(C)C
InChIInChI=1S/C19H31N3O2S/c1-14(2)22(15(3)4)11-9-20-18(23)16-7-5-10-21(13-16)19(24)17-8-6-12-25-17/h6,8,12,14-16H,5,7,9-11,13H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyNSDPHBQKSRBNHH-INIZCTEOSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 47088317
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053338
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86963349
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053321
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 30783507) is (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC(C)N(CCNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)C(C)C.
What is the InChIKey of (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is NSDPHBQKSRBNHH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-14(2)22(15(3)4)11-9-20-18(23)16-7-5-10-21(13-16)19(24)17-8-6-12-25-17/h6,8,12,14-16H,5,7,9-11,13H2,1-4H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 365.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 30783507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).