3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide

C20H29BrN2O2 — CID 51127778

IUPAC3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
SMILESO=C(CCOc1cccc(Br)c1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C20H29BrN2O2/c21-17-6-3-7-19(14-17)25-13-10-20(24)22-18-8-11-23(12-9-18)15-16-4-1-2-5-16/h3,6-7,14,16,18H,1-2,4-5,8-13,15H2,(H,22,24)
InChIKeyLDPSZFVENTVVEO-UHFFFAOYSA-N
MW409.37 g/mol
LogP3.99
Rot. Bonds7

About 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide

3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide (PubChem CID 51127778) has the molecular formula C20H29BrN2O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
PubChem CID51127778
Molecular FormulaC20H29BrN2O2
Molecular Weight409.37 g/mol
Exact Mass408.14
IUPAC Name3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
SMILESO=C(CCOc1cccc(Br)c1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C20H29BrN2O2/c21-17-6-3-7-19(14-17)25-13-10-20(24)22-18-8-11-23(12-9-18)15-16-4-1-2-5-16/h3,6-7,14,16,18H,1-2,4-5,8-13,15H2,(H,22,24)
InChIKeyLDPSZFVENTVVEO-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
CID 42993423
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
CID 32827783
3-(3-bromophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622818
ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 61094992
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
3-(3-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60629350
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide (CID 51127778) is 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide is O=C(CCOc1cccc(Br)c1)NC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide?
The InChIKey is LDPSZFVENTVVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN2O2/c21-17-6-3-7-19(14-17)25-13-10-20(24)22-18-8-11-23(12-9-18)15-16-4-1-2-5-16/h3,6-7,14,16,18H,1-2,4-5,8-13,15H2,(H,22,24).
What are the key properties of 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide?
3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide has a molecular weight of 409.37 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 51127778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).