N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide

C16H23N5O2 — CID 55446481

IUPACN,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H23N5O2/c17-5-1-7-20(8-2-6-18)15(22)13-19-9-11-21(12-10-19)16(23)14-3-4-14/h14H,1-4,7-13H2
InChIKeyDPBKXIMHNNWDAB-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.20
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide

N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide (PubChem CID 55446481) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
PubChem CID55446481
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H23N5O2/c17-5-1-7-20(8-2-6-18)15(22)13-19-9-11-21(12-10-19)16(23)14-3-4-14/h14H,1-4,7-13H2
InChIKeyDPBKXIMHNNWDAB-UHFFFAOYSA-N
XLogP0.20
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-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

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N,N-bis(2-cyanoethyl)acetamide
CID 55446127
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-bis(2-cyanoethyl)acetamide
CID 95337438
N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899377
N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834055
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile
CID 62648220
N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 86903738
N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897527
1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441954
N,N-diethyl-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 120631697
2-[1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371114
N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 78789242

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide (CID 55446481) is N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide is N#CCCN(CCC#N)C(=O)CN1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide?
The InChIKey is DPBKXIMHNNWDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c17-5-1-7-20(8-2-6-18)15(22)13-19-9-11-21(12-10-19)16(23)14-3-4-14/h14H,1-4,7-13H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide?
N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55446481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).