(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide

C19H27ClN4O3 — CID 8774686

IUPAC(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H27ClN4O3/c1-15(19(26)21-17-4-2-3-16(20)13-17)23-7-5-22(6-8-23)14-18(25)24-9-11-27-12-10-24/h2-4,13,15H,5-12,14H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyUUGNCHGRJLDBKC-HNNXBMFYSA-N
MW394.90 g/mol
LogP1.14
Rot. Bonds5

About (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide

(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide (PubChem CID 8774686) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
PubChem CID8774686
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H27ClN4O3/c1-15(19(26)21-17-4-2-3-16(20)13-17)23-7-5-22(6-8-23)14-18(25)24-9-11-27-12-10-24/h2-4,13,15H,5-12,14H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyUUGNCHGRJLDBKC-HNNXBMFYSA-N
XLogP1.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55566269
N-(3-chlorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 86908959
N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide
CID 87021789
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
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(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
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N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30628130
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
(2S)-N-(4-bromo-2-fluorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 30735387
N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
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2-(3-chloroanilino)-1-morpholin-4-ylethanone
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide (CID 8774686) is (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
The InChIKey is UUGNCHGRJLDBKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN4O3/c1-15(19(26)21-17-4-2-3-16(20)13-17)23-7-5-22(6-8-23)14-18(25)24-9-11-27-12-10-24/h2-4,13,15H,5-12,14H2,1H3,(H,21,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide has a molecular weight of 394.90 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 8774686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).