N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide

C17H25N3O3 — CID 47091691

IUPACN-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
SMILESCOc1ccc(CC2CCN(CCC(=O)NC(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-23-15-4-2-13(3-5-15)12-14-6-9-20(10-7-14)11-8-16(21)19-17(18)22/h2-5,14H,6-12H2,1H3,(H3,18,19,21,22)
InChIKeyRAKKLVPPYGWRMT-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.53
Rot. Bonds6

About N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide

N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide (PubChem CID 47091691) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
PubChem CID47091691
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
SMILESCOc1ccc(CC2CCN(CCC(=O)NC(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-23-15-4-2-13(3-5-15)12-14-6-9-20(10-7-14)11-8-16(21)19-17(18)22/h2-5,14H,6-12H2,1H3,(H3,18,19,21,22)
InChIKeyRAKKLVPPYGWRMT-UHFFFAOYSA-N
XLogP1.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931792
N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
CID 122132528
methyl 5-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]pentanoate
CID 166613684
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091693
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
CID 46086832
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide (CID 47091691) is N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide is COc1ccc(CC2CCN(CCC(=O)NC(N)=O)CC2)cc1.
What is the InChIKey of N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide?
The InChIKey is RAKKLVPPYGWRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-15-4-2-13(3-5-15)12-14-6-9-20(10-7-14)11-8-16(21)19-17(18)22/h2-5,14H,6-12H2,1H3,(H3,18,19,21,22).
What are the key properties of N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide?
N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide has a molecular weight of 319.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 47091691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).