N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C28H37N3O5 — CID 4517238

IUPACN-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCCCN1CCC(N(C(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)C2CC2)CC1
InChIInChI=1S/C28H37N3O5/c1-5-13-30-14-11-23(12-15-30)31(22-9-10-22)28(33)19-7-6-8-21(16-19)29-27(32)20-17-24(34-2)26(36-4)25(18-20)35-3/h6-8,16-18,22-23H,5,9-15H2,1-4H3,(H,29,32)
InChIKeyKEQCLDGHHVKZFY-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.44
Rot. Bonds10

About N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 4517238) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID4517238
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC NameN-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCCCN1CCC(N(C(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)C2CC2)CC1
InChIInChI=1S/C28H37N3O5/c1-5-13-30-14-11-23(12-15-30)31(22-9-10-22)28(33)19-7-6-8-21(16-19)29-27(32)20-17-24(34-2)26(36-4)25(18-20)35-3/h6-8,16-18,22-23H,5,9-15H2,1-4H3,(H,29,32)
InChIKeyKEQCLDGHHVKZFY-UHFFFAOYSA-N
XLogP4.44
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 3699462
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27446104
N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
CID 14638301
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide
CID 20850269
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 4517238) is N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is CCCN1CCC(N(C(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)C2CC2)CC1.
What is the InChIKey of N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KEQCLDGHHVKZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-5-13-30-14-11-23(12-15-30)31(22-9-10-22)28(33)19-7-6-8-21(16-19)29-27(32)20-17-24(34-2)26(36-4)25(18-20)35-3/h6-8,16-18,22-23H,5,9-15H2,1-4H3,(H,29,32).
What are the key properties of N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 495.62 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4517238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).