N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide

C22H25N3O — CID 42512291

IUPACN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
SMILESO=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O/c26-22(20-15-23-21-11-5-4-10-19(20)21)24-18-9-6-13-25(16-18)14-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,15,18,23H,6,9,12-14,16H2,(H,24,26)/t18-/m0/s1
InChIKeySIPLNEDCLKKOIF-SFHVURJKSA-N
MW347.46 g/mol
LogP3.60
Rot. Bonds5

About N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide

N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide (PubChem CID 42512291) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
PubChem CID42512291
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
SMILESO=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O/c26-22(20-15-23-21-11-5-4-10-19(20)21)24-18-9-6-13-25(16-18)14-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,15,18,23H,6,9,12-14,16H2,(H,24,26)/t18-/m0/s1
InChIKeySIPLNEDCLKKOIF-SFHVURJKSA-N
XLogP3.60
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95722570
4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
CID 45178007
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
CID 45195643
N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 42309159
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90511889
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide (CID 42512291) is N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide is O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide?
The InChIKey is SIPLNEDCLKKOIF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22(20-15-23-21-11-5-4-10-19(20)21)24-18-9-6-13-25(16-18)14-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,15,18,23H,6,9,12-14,16H2,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide?
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 42512291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).