(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide

C24H37N3O2 — CID 97135426

IUPAC(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
SMILESCCN(CCO)C(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C24H37N3O2/c1-2-25(14-15-28)24(29)21-8-5-11-27(18-21)22-9-12-26(13-10-22)23-16-19-6-3-4-7-20(19)17-23/h3-4,6-7,21-23,28H,2,5,8-18H2,1H3/t21-/m0/s1
InChIKeyKFNYBAMPOLQWDD-NRFANRHFSA-N
MW399.58 g/mol
LogP2.17
Rot. Bonds6

About (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide

(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (PubChem CID 97135426) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
PubChem CID97135426
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
SMILESCCN(CCO)C(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C24H37N3O2/c1-2-25(14-15-28)24(29)21-8-5-11-27(18-21)22-9-12-26(13-10-22)23-16-19-6-3-4-7-20(19)17-23/h3-4,6-7,21-23,28H,2,5,8-18H2,1H3/t21-/m0/s1
InChIKeyKFNYBAMPOLQWDD-NRFANRHFSA-N
XLogP2.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 97135425
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 97127259
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171232
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 45252707
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 56873678
(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553474
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406
(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
(3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56876998

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (CID 97135426) is (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide is CCN(CCO)C(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1.
What is the InChIKey of (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The InChIKey is KFNYBAMPOLQWDD-NRFANRHFSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-2-25(14-15-28)24(29)21-8-5-11-27(18-21)22-9-12-26(13-10-22)23-16-19-6-3-4-7-20(19)17-23/h3-4,6-7,21-23,28H,2,5,8-18H2,1H3/t21-/m0/s1.
What are the key properties of (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide?
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97135426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).