phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate

C28H29N3O4 — CID 154858593

IUPACphenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C28H29N3O4/c32-26(29-16-18-30(19-17-29)28(34)35-23-11-2-1-3-12-23)22-10-7-15-31(20-22)27(33)25-14-6-9-21-8-4-5-13-24(21)25/h1-6,8-9,11-14,22H,7,10,15-20H2
InChIKeyOYVSEVPUTJFCPW-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.04
Rot. Bonds3

About phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate

phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 154858593) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
PubChem CID154858593
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Namephenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C28H29N3O4/c32-26(29-16-18-30(19-17-29)28(34)35-23-11-2-1-3-12-23)22-10-7-15-31(20-22)27(33)25-14-6-9-21-8-4-5-13-24(21)25/h1-6,8-9,11-14,22H,7,10,15-20H2
InChIKeyOYVSEVPUTJFCPW-UHFFFAOYSA-N
XLogP4.04
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
CID 46568763
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
phenyl 4-(cyclobutanecarbonyl)-1,4-diazepane-1-carboxylate
CID 110799294
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate (CID 154858593) is phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(C(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)CC1.
What is the InChIKey of phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is OYVSEVPUTJFCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c32-26(29-16-18-30(19-17-29)28(34)35-23-11-2-1-3-12-23)22-10-7-15-31(20-22)27(33)25-14-6-9-21-8-4-5-13-24(21)25/h1-6,8-9,11-14,22H,7,10,15-20H2.
What are the key properties of phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate?
phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 471.56 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 154858593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).