N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide

C21H26N4O3 — CID 42848440

IUPACN-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
SMILESC=CCNC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H26N4O3/c1-2-11-22-21(27)24-16-9-12-25(13-10-16)19-8-4-3-7-18(19)20(26)23-15-17-6-5-14-28-17/h2-8,14,16H,1,9-13,15H2,(H,23,26)(H2,22,24,27)
InChIKeyPRQZBBHMVQTZKH-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.66
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide

N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide (PubChem CID 42848440) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
PubChem CID42848440
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
SMILESC=CCNC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H26N4O3/c1-2-11-22-21(27)24-16-9-12-25(13-10-16)19-8-4-3-7-18(19)20(26)23-15-17-6-5-14-28-17/h2-8,14,16H,1,9-13,15H2,(H,23,26)(H2,22,24,27)
InChIKeyPRQZBBHMVQTZKH-UHFFFAOYSA-N
XLogP2.66
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 42847997
N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140857
N-(furan-2-ylmethyl)-2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]benzamide
CID 93324043
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038598
1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea
CID 46038618
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46156249
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide (CID 42848440) is N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide is C=CCNC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
The InChIKey is PRQZBBHMVQTZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-11-22-21(27)24-16-9-12-25(13-10-16)19-8-4-3-7-18(19)20(26)23-15-17-6-5-14-28-17/h2-8,14,16H,1,9-13,15H2,(H,23,26)(H2,22,24,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 42848440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).