2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide

C17H21ClN2O3 — CID 94215472

IUPAC2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C17H21ClN2O3/c18-14-1-2-15-12(9-14)8-13(10-23-15)17(22)20-5-3-11(4-6-20)7-16(19)21/h1-2,9,11,13H,3-8,10H2,(H2,19,21)/t13-/m0/s1
InChIKeyHYUUKDJUBNVVSI-ZDUSSCGKSA-N
MW336.82 g/mol
LogP2.01
Rot. Bonds3

About 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide

2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide (PubChem CID 94215472) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide
PubChem CID94215472
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C17H21ClN2O3/c18-14-1-2-15-12(9-14)8-13(10-23-15)17(22)20-5-3-11(4-6-20)7-16(19)21/h1-2,9,11,13H,3-8,10H2,(H2,19,21)/t13-/m0/s1
InChIKeyHYUUKDJUBNVVSI-ZDUSSCGKSA-N
XLogP2.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-4-carboxamide
CID 36841750
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542766
azepan-1-yl-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]methanone
CID 8547957
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 126775379
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 8967651
[2-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 119631032
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 8968322
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17417053
ethyl (3R)-1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-3-carboxylate
CID 51926919
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 120657795
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone
CID 55617761
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 8968410

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide (CID 94215472) is 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1.
What is the InChIKey of 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is HYUUKDJUBNVVSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-14-1-2-15-12(9-14)8-13(10-23-15)17(22)20-5-3-11(4-6-20)7-16(19)21/h1-2,9,11,13H,3-8,10H2,(H2,19,21)/t13-/m0/s1.
What are the key properties of 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide?
2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 336.82 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 94215472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).