(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide

C18H32N4O2 — CID 94103625

IUPAC(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(CCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c1-15(18(24)19-16-5-6-16)21-13-11-20(12-14-21)10-7-17(23)22-8-3-2-4-9-22/h15-16H,2-14H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeyZHKHVDHRDBOVMW-HNNXBMFYSA-N
MW336.48 g/mol
LogP0.67
Rot. Bonds6

About (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide

(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide (PubChem CID 94103625) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
PubChem CID94103625
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(CCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c1-15(18(24)19-16-5-6-16)21-13-11-20(12-14-21)10-7-17(23)22-8-3-2-4-9-22/h15-16H,2-14H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeyZHKHVDHRDBOVMW-HNNXBMFYSA-N
XLogP0.67
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
N,N'-Ethylenebis-1-piperidineacetamide
CID 2920518
3-[2-(4-Cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 24791447
1-Cyclohexyl-4-[(1-methyl-3-oxo-2-piperazinyl)acetyl]-2-piperazinone
CID 24817509
N-(propan-2-ylcarbamoyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386855
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
1,7-Bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane
CID 393890
2-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
4-(cyclopropylmethyl)-3-isopropyl-1-(N-methyl-N-4-piperidinylglycyl)-1,4-diazepan-5-one dihydrochloride
CID 56874004
4-(4-Aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789941

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide (CID 94103625) is (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)NC1CC1)N1CCN(CCC(=O)N2CCCCC2)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide?
The InChIKey is ZHKHVDHRDBOVMW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-15(18(24)19-16-5-6-16)21-13-11-20(12-14-21)10-7-17(23)22-8-3-2-4-9-22/h15-16H,2-14H2,1H3,(H,19,24)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide?
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide has a molecular weight of 336.48 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 94103625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).