N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide

C19H29N3O3 — CID 108561105

IUPACN,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-15-6-8-17(9-7-15)25-14-4-5-18(23)20-16-10-12-22(13-11-16)19(24)21(2)3/h6-9,16H,4-5,10-14H2,1-3H3,(H,20,23)
InChIKeyCRMPNCOJWWFVIA-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.42
Rot. Bonds6

About N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide

N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide (PubChem CID 108561105) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
PubChem CID108561105
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-15-6-8-17(9-7-15)25-14-4-5-18(23)20-16-10-12-22(13-11-16)19(24)21(2)3/h6-9,16H,4-5,10-14H2,1-3H3,(H,20,23)
InChIKeyCRMPNCOJWWFVIA-UHFFFAOYSA-N
XLogP2.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 49493081
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553423
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108549552
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553427
tert-butyl N-[2-[4-[4-(4-methylphenoxy)butanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108553401
2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108565343
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553430
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553431

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide (CID 108561105) is N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide is Cc1ccc(OCCCC(=O)NC2CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide?
The InChIKey is CRMPNCOJWWFVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-6-8-17(9-7-15)25-14-4-5-18(23)20-16-10-12-22(13-11-16)19(24)21(2)3/h6-9,16H,4-5,10-14H2,1-3H3,(H,20,23).
What are the key properties of N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide?
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide is sourced from PubChem (CID 108561105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).