(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide

C19H28ClN5O2 — CID 30721120

IUPAC(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H28ClN5O2/c1-15(19(27)22-17-6-5-16(20)13-21-17)24-11-9-23(10-12-24)14-18(26)25-7-3-2-4-8-25/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,21,22,27)/t15-/m1/s1
InChIKeyKSKMETOFYWXOCT-OAHLLOKOSA-N
MW393.92 g/mol
LogP1.69
Rot. Bonds5

About (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide

(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide (PubChem CID 30721120) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
PubChem CID30721120
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H28ClN5O2/c1-15(19(27)22-17-6-5-16(20)13-21-17)24-11-9-23(10-12-24)14-18(26)25-7-3-2-4-8-25/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,21,22,27)/t15-/m1/s1
InChIKeyKSKMETOFYWXOCT-OAHLLOKOSA-N
XLogP1.69
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444680
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30956228
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 42926177
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30737955
N-(5-chloro-2-pyridinyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896898
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774334
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 25340743
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 30737410

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide (CID 30721120) is (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The InChIKey is KSKMETOFYWXOCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28ClN5O2/c1-15(19(27)22-17-6-5-16(20)13-21-17)24-11-9-23(10-12-24)14-18(26)25-7-3-2-4-8-25/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,21,22,27)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide has a molecular weight of 393.92 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30721120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).