N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide

C28H39N3O3 — CID 4043686

IUPACN-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)NCCCOC)c2)cc1
InChIInChI=1S/C28H39N3O3/c1-3-4-6-10-22-11-13-23(14-12-22)27(32)30-24-15-16-26(31-18-7-5-8-19-31)25(21-24)28(33)29-17-9-20-34-2/h11-16,21H,3-10,17-20H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyHQPOTFJHKOXTPC-UHFFFAOYSA-N
MW465.64 g/mol
LogP5.43
Rot. Bonds12

About N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide

N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide (PubChem CID 4043686) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide
PubChem CID4043686
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC NameN-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)NCCCOC)c2)cc1
InChIInChI=1S/C28H39N3O3/c1-3-4-6-10-22-11-13-23(14-12-22)27(32)30-24-15-16-26(31-18-7-5-8-19-31)25(21-24)28(33)29-17-9-20-34-2/h11-16,21H,3-10,17-20H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyHQPOTFJHKOXTPC-UHFFFAOYSA-N
XLogP5.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42757211
5-[(4-ethylbenzoyl)amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5135806
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-pentylbenzoyl)amino]benzamide
CID 42756012
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3291960
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 3349119
N-[(2S)-butan-2-yl]-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 7214649
N-butan-2-yl-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3483776
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756154

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide (CID 4043686) is N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide is CCCCCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)NCCCOC)c2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The InChIKey is HQPOTFJHKOXTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-3-4-6-10-22-11-13-23(14-12-22)27(32)30-24-15-16-26(31-18-7-5-8-19-31)25(21-24)28(33)29-17-9-20-34-2/h11-16,21H,3-10,17-20H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide has a molecular weight of 465.64 g/mol, XLogP of 5.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 4043686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).