[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

C29H32N2O3 — CID 51927556

IUPAC[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1
InChIInChI=1S/C29H32N2O3/c32-28(30-18-15-25(16-19-30)34-21-22-8-2-1-3-9-22)24-12-7-17-31(20-24)29(33)27-14-6-11-23-10-4-5-13-26(23)27/h1-6,8-11,13-14,24-25H,7,12,15-21H2/t24-/m1/s1
InChIKeyKPNXEEXXJZMLKQ-XMMPIXPASA-N
MW456.59 g/mol
LogP4.90
Rot. Bonds5

About [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 51927556) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID51927556
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1
InChIInChI=1S/C29H32N2O3/c32-28(30-18-15-25(16-19-30)34-21-22-8-2-1-3-9-22)24-12-7-17-31(20-24)29(33)27-14-6-11-23-10-4-5-13-26(23)27/h1-6,8-11,13-14,24-25H,7,12,15-21H2/t24-/m1/s1
InChIKeyKPNXEEXXJZMLKQ-XMMPIXPASA-N
XLogP4.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 154858593
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
CID 46568763
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 119664357
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (CID 51927556) is [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1.
What is the InChIKey of [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is KPNXEEXXJZMLKQ-XMMPIXPASA-N. The full InChI is InChI=1S/C29H32N2O3/c32-28(30-18-15-25(16-19-30)34-21-22-8-2-1-3-9-22)24-12-7-17-31(20-24)29(33)27-14-6-11-23-10-4-5-13-26(23)27/h1-6,8-11,13-14,24-25H,7,12,15-21H2/t24-/m1/s1.
What are the key properties of [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 456.59 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 51927556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).