(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide

C18H34N4O — CID 124612749

IUPAC(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C18H34N4O/c1-15(18(23)20-17-4-2-3-5-17)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h15-17,19H,2-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyDPVZJMYAIKCLSM-HNNXBMFYSA-N
MW322.50 g/mol
LogP1.05
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide

(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 124612749) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide
PubChem CID124612749
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C18H34N4O/c1-15(18(23)20-17-4-2-3-5-17)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h15-17,19H,2-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyDPVZJMYAIKCLSM-HNNXBMFYSA-N
XLogP1.05
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344457
(2R)-N-cyclohexyl-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30988484
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115733
N-cyclohexyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55461906
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
CID 119925326
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
N-(3-ethylcyclohexyl)-2-piperazin-1-ylpropanamide
CID 64743330
N-cyclopropyl-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119839032
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
CID 43373704

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide (CID 124612749) is (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)NC1CCCC1)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is DPVZJMYAIKCLSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-15(18(23)20-17-4-2-3-5-17)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h15-17,19H,2-14H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide?
(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 322.50 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 124612749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).