N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide

C21H32N4O2 — CID 46038598

IUPACN-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
SMILESC=CCNC(=O)NC1CCN(c2ccccc2C(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C21H32N4O2/c1-5-12-22-21(27)24-17-10-13-25(14-11-17)19-9-7-6-8-18(19)20(26)23-16(4)15(2)3/h5-9,15-17H,1,10-14H2,2-4H3,(H,23,26)(H2,22,24,27)
InChIKeySXOHFUCBDYHEPC-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.91
Rot. Bonds7

About N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide

N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide (PubChem CID 46038598) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
PubChem CID46038598
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
SMILESC=CCNC(=O)NC1CCN(c2ccccc2C(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C21H32N4O2/c1-5-12-22-21(27)24-17-10-13-25(14-11-17)19-9-7-6-8-18(19)20(26)23-16(4)15(2)3/h5-9,15-17H,1,10-14H2,2-4H3,(H,23,26)(H2,22,24,27)
InChIKeySXOHFUCBDYHEPC-UHFFFAOYSA-N
XLogP2.91
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848440
1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea
CID 46038618
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324060

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide (CID 46038598) is N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide is C=CCNC(=O)NC1CCN(c2ccccc2C(=O)NC(C)C(C)C)CC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
The InChIKey is SXOHFUCBDYHEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-5-12-22-21(27)24-17-10-13-25(14-11-17)19-9-7-6-8-18(19)20(26)23-16(4)15(2)3/h5-9,15-17H,1,10-14H2,2-4H3,(H,23,26)(H2,22,24,27).
What are the key properties of N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide has a molecular weight of 372.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 46038598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).