N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide

C19H35N5O2 — CID 24534624

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC(C)CNC(=O)CN1CCN(C(C)C(=O)NC(C)(C#N)C(C)C)CC1
InChIInChI=1S/C19H35N5O2/c1-14(2)11-21-17(25)12-23-7-9-24(10-8-23)16(5)18(26)22-19(6,13-20)15(3)4/h14-16H,7-12H2,1-6H3,(H,21,25)(H,22,26)
InChIKeyIHWOENLRVXVRNM-UHFFFAOYSA-N
MW365.52 g/mol
LogP0.82
Rot. Bonds8

About N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide

N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 24534624) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID24534624
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC(C)CNC(=O)CN1CCN(C(C)C(=O)NC(C)(C#N)C(C)C)CC1
InChIInChI=1S/C19H35N5O2/c1-14(2)11-21-17(25)12-23-7-9-24(10-8-23)16(5)18(26)22-19(6,13-20)15(3)4/h14-16H,7-12H2,1-6H3,(H,21,25)(H,22,26)
InChIKeyIHWOENLRVXVRNM-UHFFFAOYSA-N
XLogP0.82
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 41084376
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9293406
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 95900073
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 41016004
N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 42934015
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 31930775
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 42926214
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
CID 41084085
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 78611022
2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113363017
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18171113
N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 24534624) is N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is CC(C)CNC(=O)CN1CCN(C(C)C(=O)NC(C)(C#N)C(C)C)CC1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is IHWOENLRVXVRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-14(2)11-21-17(25)12-23-7-9-24(10-8-23)16(5)18(26)22-19(6,13-20)15(3)4/h14-16H,7-12H2,1-6H3,(H,21,25)(H,22,26).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 365.52 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 24534624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).