1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

C27H29N3O2 — CID 166328159

IUPAC1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(C2CCN(C(=O)c3ccc4ccccc4c3)C2)C1
InChIInChI=1S/C27H29N3O2/c31-26(15-20-5-3-12-28-17-20)29-13-4-8-24(18-29)25-11-14-30(19-25)27(32)23-10-9-21-6-1-2-7-22(21)16-23/h1-3,5-7,9-10,12,16-17,24-25H,4,8,11,13-15,18-19H2
InChIKeyNXYUWBADVMOOHY-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.18
Rot. Bonds4

About 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 166328159) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID166328159
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(C2CCN(C(=O)c3ccc4ccccc4c3)C2)C1
InChIInChI=1S/C27H29N3O2/c31-26(15-20-5-3-12-28-17-20)29-13-4-8-24(18-29)25-11-14-30(19-25)27(32)23-10-9-21-6-1-2-7-22(21)16-23/h1-3,5-7,9-10,12,16-17,24-25H,4,8,11,13-15,18-19H2
InChIKeyNXYUWBADVMOOHY-UHFFFAOYSA-N
XLogP4.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 166328161
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone
CID 166328150
1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192172
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 167823356
1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347532

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 166328159) is 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCCC(C2CCN(C(=O)c3ccc4ccccc4c3)C2)C1.
What is the InChIKey of 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is NXYUWBADVMOOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-26(15-20-5-3-12-28-17-20)29-13-4-8-24(18-29)25-11-14-30(19-25)27(32)23-10-9-21-6-1-2-7-22(21)16-23/h1-3,5-7,9-10,12,16-17,24-25H,4,8,11,13-15,18-19H2.
What are the key properties of 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 427.55 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 166328159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).